Geometry & MOs

Info

ID:	179699
PubChem CID:	76520133
Reduced:	ClN2O3H7C11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	218.08937
ΔH_f, kcal/mol:	-42.92
Dipole, Da:	2.52
IP(EA), eV:	-10.08(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2C(=O)N=CC(=N2)C(=O)O

DOS

IR

Vibrations